2-[4-(aminomethyl)phenyl]-N-(3,3,3-trifluoropropyl)acetamide

C12H15F3N2O — CID 63591393

IUPAC2-[4-(aminomethyl)phenyl]-N-(3,3,3-trifluoropropyl)acetamide
SMILESNCc1ccc(CC(=O)NCCC(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)5-6-17-11(18)7-9-1-3-10(8-16)4-2-9/h1-4H,5-8,16H2,(H,17,18)
InChIKeySWEURZNCSHXECP-UHFFFAOYSA-N
MW260.26 g/mol
LogP1.76
Rot. Bonds5

About 2-[4-(aminomethyl)phenyl]-N-(3,3,3-trifluoropropyl)acetamide

2-[4-(aminomethyl)phenyl]-N-(3,3,3-trifluoropropyl)acetamide (PubChem CID 63591393) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenyl]-N-(3,3,3-trifluoropropyl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenyl]-N-(3,3,3-trifluoropropyl)acetamide
PubChem CID63591393
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name2-[4-(aminomethyl)phenyl]-N-(3,3,3-trifluoropropyl)acetamide
SMILESNCc1ccc(CC(=O)NCCC(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)5-6-17-11(18)7-9-1-3-10(8-16)4-2-9/h1-4H,5-8,16H2,(H,17,18)
InChIKeySWEURZNCSHXECP-UHFFFAOYSA-N
XLogP1.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-N-(4,4,4-trifluorobutyl)benzamide;hydrochloride
CID 119322430
2-(4-carbamothioylphenyl)-N-(4,4,4-trifluorobutyl)acetamide
CID 115519806
2-[[2-[4-(aminomethyl)phenyl]acetyl]amino]ethyl carbamate
CID 83202715
3-(4-aminophenyl)-N-(3,3,3-trifluoropropyl)propanamide
CID 63228293
2-[4-(aminomethyl)phenyl]-N-(2-methylsulfonylethyl)acetamide
CID 63589774
2-[4-(aminomethyl)phenyl]-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 63588886
2-(1H-indol-6-yl)-N-(3,3,3-trifluoropropyl)acetamide
CID 112527774
2-(2-amino-1,3-thiazol-4-yl)-N-(3,3,3-trifluoropropyl)acetamide
CID 63227328
N-[[4-(aminomethyl)phenyl]methyl]-2-(4-hydroxyphenyl)acetamide
CID 81090221
2-[4-(aminomethyl)phenyl]-N-[2-(dimethylsulfamoyl)ethyl]acetamide
CID 106333131
2-[4-(aminomethyl)phenyl]-N-methylacetamide
CID 23301882
N-(2-aminoethyl)-2-(4-aminophenyl)acetamide
CID 55032139

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenyl]-N-(3,3,3-trifluoropropyl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)phenyl]-N-(3,3,3-trifluoropropyl)acetamide (CID 63591393) is 2-[4-(aminomethyl)phenyl]-N-(3,3,3-trifluoropropyl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)phenyl]-N-(3,3,3-trifluoropropyl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)phenyl]-N-(3,3,3-trifluoropropyl)acetamide is NCc1ccc(CC(=O)NCCC(F)(F)F)cc1.
What is the InChIKey of 2-[4-(aminomethyl)phenyl]-N-(3,3,3-trifluoropropyl)acetamide?
The InChIKey is SWEURZNCSHXECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c13-12(14,15)5-6-17-11(18)7-9-1-3-10(8-16)4-2-9/h1-4H,5-8,16H2,(H,17,18).
What are the key properties of 2-[4-(aminomethyl)phenyl]-N-(3,3,3-trifluoropropyl)acetamide?
2-[4-(aminomethyl)phenyl]-N-(3,3,3-trifluoropropyl)acetamide has a molecular weight of 260.26 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenyl]-N-(3,3,3-trifluoropropyl)acetamide is sourced from PubChem (CID 63591393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).